Geometry & MOs

Info

ID:	43464
PubChem CID:	10321336
Reduced:	PF2N2O5C20H29 (1)
Stoich.:	AB2C2D5E20F29 (1)
Weight, g/mol:	446.115915
ΔH_f, kcal/mol:	-358.76
Dipole, Da:	8.59
IP(EA), eV:	-9.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,4R,5R,6R)-2-[[(2S)-2-aminopropanoyl]amino]-4-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid;4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CN1C[C@@H](N(C1=O)CCCCCCP(=O)(O)O)/C=C/C(C(C2=CC=CC=C2)(F)F)O

DOS

IR

Vibrations